#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxn n GLY 72 N 0.00 1.19 3.69 0.00 0.00 -1.26 -5.12 105.19 103.69 1oxn n GLY 72 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1oxn n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxn s ALA 73 N -2.00 1.61 -0.00 4.61 0.00 -1.26 -5.03 121.76 119.68 1oxn s ALA 73 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1oxn s ALA 73 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1oxn s ALA 73 CO 0.00 -2.59 -0.21 0.99 0.00 0.00 0.00 175.76 173.95 1oxn s THR 74 N -2.64 1.65 0.05 0.00 2.01 -1.26 -5.09 115.64 110.36 1oxn s THR 74 Ca 0.67 -0.96 -0.35 0.00 0.31 0.00 0.00 61.69 61.36 1oxn s THR 74 Cb -0.23 -1.38 -0.14 0.00 0.01 0.00 0.00 72.50 70.77 1oxn s THR 74 CO 0.57 0.41 1.64 -0.11 -0.69 0.00 0.00 174.62 176.44 1oxn n LEU 75 N 2.41 2.97 -4.76 4.42 7.94 -1.26 -4.98 117.00 123.74 1oxn n LEU 75 Ca -0.16 1.06 -0.36 0.00 -1.11 0.00 0.00 56.01 55.43 1oxn n LEU 75 Cb 0.53 -1.36 0.02 0.00 0.53 0.00 0.00 43.42 43.14 1oxn n LEU 75 CO 0.23 -0.33 0.85 -0.44 -1.11 0.00 0.00 177.39 176.60 1oxn s SER 76 N 1.92 5.49 0.13 1.96 0.01 -1.26 -4.97 113.70 116.97 1oxn s SER 76 Ca 0.85 2.41 0.23 0.00 1.31 0.00 0.00 55.95 60.74 1oxn s SER 76 Cb -0.74 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 62.98 1oxn s SER 76 CO 0.44 -1.39 1.09 0.54 0.41 0.00 0.00 173.24 174.33 1oxn n ARG 77 N -1.21 0.44 -2.35 12.44 1.74 -1.26 -4.91 116.66 121.55 1oxn n ARG 77 Ca 0.11 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 1oxn n ARG 77 Cb 0.49 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 1oxn n ARG 77 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1oxn s GLY 78 N -3.99 2.20 0.56 -0.13 0.00 -1.26 -5.01 107.32 99.69 1oxn s GLY 78 Ca 0.02 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.41 1oxn s GLY 78 CO 0.78 2.19 1.32 -4.14 0.00 0.00 0.00 173.10 173.26 1oxn s PRO 79 N 1.42 3.06 0.27 2.90 0.02 -1.26 -4.91 135.00 136.49 1oxn s PRO 79 Ca 0.60 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.74 1oxn s PRO 79 Cb -0.31 -2.16 0.41 0.00 0.02 0.00 0.00 34.50 32.46 1oxn s PRO 79 CO 0.28 -1.23 1.88 0.00 -0.33 0.00 0.00 177.00 177.61 1oxn h ALA 80 N 1.28 1.40 -2.48 -1.55 0.00 -0.29 -3.35 119.26 114.27 1oxn h ALA 80 Ca -0.51 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1oxn h ALA 80 Cb 1.30 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 18.40 1oxn h ALA 80 CO 0.56 0.45 -0.91 0.12 0.00 0.00 0.00 179.25 179.47 1oxn s PHE 81 N -6.04 1.39 0.36 0.00 2.19 0.44 -4.99 117.98 111.33 1oxn s PHE 81 Ca -0.12 -2.41 0.08 0.00 0.33 0.00 0.00 56.93 54.80 1oxn s PHE 81 Cb 0.20 -1.16 0.79 0.00 -1.31 0.00 0.00 43.02 41.54 1oxn s PHE 81 CO 0.81 -0.79 1.92 -1.35 1.83 0.00 0.00 175.22 177.64 1oxn h PRO 82 N 5.73 0.69 -0.65 10.12 0.11 -1.79 0.06 132.00 146.27 1oxn h PRO 82 Ca 0.23 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 66.45 1oxn h PRO 82 Cb 0.89 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 1oxn h PRO 82 CO 0.41 0.46 0.45 0.78 -0.21 0.00 0.00 178.00 179.89 1oxn h GLY 83 N 0.71 0.36 -2.11 -0.55 0.00 -1.95 -0.06 103.07 99.48 1oxn h GLY 83 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1oxn h GLY 83 CO -0.15 0.03 0.00 1.03 0.00 0.00 0.00 176.54 177.46 1oxn n MET 84 N -4.43 2.76 0.11 4.80 2.81 0.01 -4.14 117.12 119.04 1oxn n MET 84 Ca 0.12 -1.62 0.11 0.00 -1.81 0.00 0.00 57.70 54.50 1oxn n MET 84 Cb 0.57 -1.74 0.47 0.00 -0.71 0.00 0.00 33.22 31.81 1oxn n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oxn n GLY 85 N 0.57 -1.22 3.73 3.03 0.00 -0.04 -4.61 105.19 106.66 1oxn n GLY 85 Ca 0.15 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1oxn n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oxn s SER 86 N -4.06 6.44 0.21 1.61 0.15 -1.26 -5.00 113.70 111.79 1oxn s SER 86 Ca 0.04 0.51 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 1oxn s SER 86 Cb 0.09 -2.18 0.22 0.00 -1.71 0.00 0.00 66.02 62.44 1oxn s SER 86 CO 0.36 0.11 1.81 -0.08 1.20 0.00 0.00 173.24 176.64 1oxn h GLU 87 N 6.63 0.67 -0.28 5.44 4.81 -1.88 -1.55 114.58 128.41 1oxn h GLU 87 Ca -0.41 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1oxn h GLU 87 Cb 1.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1oxn h GLU 87 CO 0.75 0.45 -0.05 1.49 -0.73 0.00 0.00 179.01 180.92 1oxn h GLU 88 N 0.69 0.44 -0.34 1.92 4.22 -1.94 0.32 114.58 119.90 1oxn h GLU 88 Ca 0.29 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 59.51 1oxn h GLU 88 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1oxn h GLU 88 CO -0.16 0.51 -0.25 -0.07 -2.18 0.00 0.00 179.01 176.85 1oxn h LEU 89 N 0.42 0.81 -0.51 1.64 3.38 -1.81 -0.51 115.31 118.73 1oxn h LEU 89 Ca 0.09 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1oxn h LEU 89 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1oxn h LEU 89 CO 0.02 1.08 0.30 0.03 0.09 0.00 0.00 178.44 179.95 1oxn h ARG 90 N 0.54 0.70 -0.79 1.13 3.08 -0.56 -2.45 114.38 116.02 1oxn h ARG 90 Ca 0.06 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1oxn h ARG 90 Cb 0.82 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 1oxn h ARG 90 CO 0.07 0.52 0.48 1.25 -1.07 0.00 0.00 179.97 181.22 1oxn h LEU 91 N 0.68 0.74 -2.02 3.04 6.46 -0.13 -1.63 115.31 122.44 1oxn h LEU 91 Ca 0.18 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1oxn h LEU 91 Cb 0.01 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1oxn h LEU 91 CO -0.03 0.48 -0.06 0.00 -0.62 0.00 0.00 178.44 178.20 1oxn h ALA 92 N 1.38 1.72 0.00 1.25 0.00 -0.63 -1.29 119.26 121.70 1oxn h ALA 92 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1oxn h ALA 92 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1oxn h ALA 92 CO -0.17 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.81 1oxn h SER 93 N 0.00 0.00 -0.36 0.00 4.64 -1.03 -2.31 113.55 114.49 1oxn h SER 93 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oxn h SER 93 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1oxn h SER 93 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1oxn n PHE 94 N -2.74 0.52 -0.26 4.77 3.72 -0.49 -4.34 117.46 118.63 1oxn n PHE 94 Ca 0.00 -0.25 0.22 0.00 -0.05 0.00 0.00 57.45 57.37 1oxn n PHE 94 Cb 0.22 -0.02 0.55 0.00 -0.94 0.00 0.00 39.48 39.29 1oxn n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1oxn h TYR 95 N 2.12 0.48 -0.44 1.38 -0.00 -1.56 0.77 116.97 119.74 1oxn h TYR 95 Ca 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 58.73 58.54 1oxn h TYR 95 Cb 0.53 -0.14 -0.12 0.00 -0.00 0.00 0.00 36.73 36.99 1oxn h TYR 95 CO 0.26 0.10 0.03 -0.40 -0.00 0.00 0.00 178.16 178.15 1oxn n ASP 96 N -4.50 2.85 -4.69 0.10 5.75 -1.26 -5.01 116.55 109.80 1oxn n ASP 96 Ca 0.21 -3.66 -0.42 0.00 -0.01 0.00 0.00 54.79 50.91 1oxn n ASP 96 Cb 0.81 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1oxn n ASP 96 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1oxn s TRP 97 N -3.20 2.47 0.22 2.11 -0.11 0.26 -4.92 118.94 115.78 1oxn s TRP 97 Ca 0.46 0.41 -0.32 0.00 1.22 0.00 0.00 56.10 57.87 1oxn s TRP 97 Cb 0.41 -3.90 -0.13 0.00 -1.50 0.00 0.00 33.47 28.35 1oxn s TRP 97 CO 0.03 -3.58 1.48 -2.30 -4.62 0.00 0.00 176.95 167.96 1oxn n PRO 98 N 5.67 2.16 -0.28 5.86 -0.02 -1.26 -4.90 135.00 142.24 1oxn n PRO 98 Ca 0.15 0.77 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 1oxn n PRO 98 Cb 0.41 -2.48 0.34 0.00 -0.02 0.00 0.00 33.50 31.76 1oxn n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1oxn h LEU 99 N 4.79 0.72 -1.94 2.45 4.07 -2.00 -2.11 115.31 121.29 1oxn h LEU 99 Ca -0.45 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 1oxn h LEU 99 Cb 1.26 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1oxn h LEU 99 CO 0.80 0.39 -0.09 0.71 -1.08 0.00 0.00 178.44 179.18 1oxn h THR 100 N 0.78 0.37 -3.52 0.22 1.35 -2.01 -3.38 112.91 106.73 1oxn h THR 100 Ca 0.43 -0.49 -0.57 0.00 -0.55 0.00 0.00 66.41 65.24 1oxn h THR 100 Cb 0.58 1.35 -0.09 0.00 -1.73 0.00 0.00 68.15 68.27 1oxn h THR 100 CO -0.20 0.08 0.81 0.00 -0.25 0.00 0.00 175.52 175.97 1oxn s ALA 101 N -4.05 3.13 -0.46 6.62 0.00 -0.79 -4.93 121.76 121.28 1oxn s ALA 101 Ca -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1oxn s ALA 101 Cb 0.12 -3.85 0.30 0.00 0.00 0.00 0.00 23.12 19.69 1oxn s ALA 101 CO 0.55 -2.33 2.05 0.39 0.00 0.00 0.00 175.76 176.43 1oxn n GLU 102 N 7.79 2.17 -4.31 0.00 -0.58 -1.26 -4.76 120.64 119.69 1oxn n GLU 102 Ca 0.09 -2.27 -0.32 0.00 -0.42 0.00 0.00 57.16 54.24 1oxn n GLU 102 Cb 0.49 -1.89 -0.16 0.00 -0.57 0.00 0.00 31.44 29.30 1oxn n GLU 102 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1oxn s VAL 103 N -3.29 1.87 0.17 2.62 1.01 -1.26 -4.18 120.40 117.33 1oxn s VAL 103 Ca 0.45 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 1oxn s VAL 103 Cb 0.35 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 1oxn s VAL 103 CO -0.02 0.51 1.53 -2.84 0.00 0.00 0.00 175.10 174.29 1oxn s PRO 104 N 1.15 4.23 0.38 2.72 0.02 -1.26 -4.89 135.00 137.35 1oxn s PRO 104 Ca -0.00 2.33 0.17 0.00 0.02 0.00 0.00 61.00 63.51 1oxn s PRO 104 Cb -0.14 -3.16 1.06 0.00 0.02 0.00 0.00 34.50 32.28 1oxn s PRO 104 CO -0.08 -0.57 1.76 -1.35 -0.33 0.00 0.00 177.00 176.44 1oxn h PRO 105 N 6.55 0.42 -0.57 5.54 0.11 -1.95 -1.07 132.00 141.03 1oxn h PRO 105 Ca -0.43 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1oxn h PRO 105 Cb 1.21 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1oxn h PRO 105 CO 0.89 0.28 0.20 0.93 -0.21 0.00 0.00 178.00 180.09 1oxn h GLU 106 N 0.43 0.37 -0.35 1.05 3.07 -1.94 0.34 114.58 117.54 1oxn h GLU 106 Ca 0.61 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.30 1oxn h GLU 106 Cb 1.46 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1oxn h GLU 106 CO -0.34 0.24 -0.37 -0.07 -1.40 0.00 0.00 179.01 177.07 1oxn h LEU 107 N 0.38 0.94 -0.27 1.33 3.38 -1.58 -1.29 115.31 118.19 1oxn h LEU 107 Ca 0.28 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1oxn h LEU 107 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1oxn h LEU 107 CO -0.29 1.22 0.13 -0.07 0.09 0.00 0.00 178.44 179.52 1oxn h LEU 108 N 0.67 0.36 -0.72 1.67 3.38 -1.19 -0.63 115.31 118.85 1oxn h LEU 108 Ca 0.05 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1oxn h LEU 108 Cb 0.96 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1oxn h LEU 108 CO 0.09 0.39 0.16 0.00 0.09 0.00 0.00 178.44 179.17 1oxn h ALA 109 N 0.99 0.95 -0.42 1.53 0.00 -0.31 -0.45 119.26 121.55 1oxn h ALA 109 Ca 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1oxn h ALA 109 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1oxn h ALA 109 CO -0.01 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.01 1oxn h ALA 110 N 1.09 1.39 -0.06 0.00 0.00 -1.07 -1.88 119.26 118.74 1oxn h ALA 110 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oxn h ALA 110 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1oxn h ALA 110 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1oxn n ALA 111 N -2.47 2.50 -0.11 0.00 0.00 -0.26 -4.85 120.51 115.32 1oxn n ALA 111 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1oxn n ALA 111 Cb 0.20 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1oxn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oxn n GLY 112 N 0.62 0.58 3.88 0.00 0.00 -0.71 -4.88 105.19 104.68 1oxn n GLY 112 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1oxn n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oxn s PHE 113 N -2.22 3.59 0.12 1.61 0.08 -0.25 -0.96 117.98 119.96 1oxn s PHE 113 Ca 0.00 0.58 0.07 0.00 0.12 0.00 0.00 56.93 57.70 1oxn s PHE 113 Cb 0.00 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1oxn s PHE 113 CO 0.00 0.63 -0.17 -0.59 -0.10 0.00 0.00 175.22 174.99 1oxn s PHE 114 N -1.26 1.58 0.10 0.36 -0.71 0.31 -3.55 117.98 114.82 1oxn s PHE 114 Ca 0.26 -0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 55.36 1oxn s PHE 114 Cb -0.13 -0.83 -0.06 0.00 -1.21 0.00 0.00 43.02 40.79 1oxn s PHE 114 CO 0.15 0.20 1.07 -1.58 -1.34 0.00 0.00 175.22 173.71 1oxn s HIS 115 N -1.76 3.62 0.09 3.49 5.65 -1.26 -1.36 115.29 123.76 1oxn s HIS 115 Ca 0.09 1.59 0.10 0.00 0.25 0.00 0.00 55.06 57.09 1oxn s HIS 115 Cb -0.07 -3.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.07 1oxn s HIS 115 CO 0.04 -0.46 -0.25 0.95 -0.65 0.00 0.00 174.74 174.37 1oxn s THR 116 N 0.39 2.32 0.00 0.89 -4.23 -0.71 -4.90 115.64 109.40 1oxn s THR 116 Ca 0.52 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1oxn s THR 116 Cb -0.26 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.60 1oxn s THR 116 CO 0.31 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1oxn n GLY 117 N 1.28 -1.12 0.01 3.99 0.00 -1.26 -4.04 105.19 104.04 1oxn n GLY 117 Ca -0.17 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1oxn n GLY 117 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oxn n HIS 118 N -0.08 0.00 0.00 1.61 8.25 -1.26 -4.98 115.22 118.76 1oxn n HIS 118 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 1oxn n HIS 118 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1oxn n HIS 118 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1oxn n GLN 119 N -0.41 1.88 -0.85 -0.41 3.00 -1.26 -4.86 117.38 114.47 1oxn n GLN 119 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1oxn n GLN 119 Cb 0.32 0.00 0.19 0.00 0.00 0.00 0.00 30.24 30.75 1oxn n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1oxn n ASP 120 N 0.00 2.51 -4.75 1.08 5.75 -1.26 -4.49 116.55 115.39 1oxn n ASP 120 Ca 0.00 -3.82 -0.40 0.00 -0.01 0.00 0.00 54.79 50.56 1oxn n ASP 120 Cb 0.00 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 39.42 1oxn n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1oxn s LYS 121 N -3.28 4.69 0.13 0.11 1.02 -1.26 -4.34 119.74 116.81 1oxn s LYS 121 Ca 0.44 1.34 0.05 0.00 0.02 0.00 0.00 55.97 57.82 1oxn s LYS 121 Cb 0.40 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1oxn s LYS 121 CO -0.02 0.41 -0.11 0.14 -0.92 0.00 0.00 175.35 174.85 1oxn s VAL 122 N -0.66 1.15 0.03 3.17 -7.23 0.49 -1.74 120.40 115.60 1oxn s VAL 122 Ca 0.41 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1oxn s VAL 122 Cb -0.24 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1oxn s VAL 122 CO 0.29 -0.63 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.18 1oxn s ARG 123 N -3.29 0.89 0.11 4.82 1.81 -0.47 -1.19 118.95 121.63 1oxn s ARG 123 Ca 0.12 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 1oxn s ARG 123 Cb -0.00 -0.87 -0.06 0.00 -0.45 0.00 0.00 34.95 33.56 1oxn s ARG 123 CO 0.01 0.22 1.08 0.00 -0.68 0.00 0.00 175.30 175.92 1oxn h PHE 125 N 5.84 0.00 0.00 0.00 -0.00 -1.34 0.03 116.94 121.47 1oxn h PHE 125 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1oxn h PHE 125 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1oxn h PHE 125 CO 0.65 0.13 -0.31 0.35 -0.00 0.00 0.00 178.31 179.12 1oxn h PHE 126 N 0.00 0.00 -0.00 6.09 3.04 -1.86 0.14 116.94 124.35 1oxn h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1oxn h PHE 126 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1oxn h PHE 126 CO 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 178.31 175.83 1oxn n TYR 128 N -1.29 0.00 -1.72 0.00 9.36 -0.00 -4.93 117.16 118.58 1oxn n TYR 128 Ca 0.07 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.87 1oxn n TYR 128 Cb 0.34 -3.05 -0.03 0.00 -0.63 0.00 0.00 39.34 35.97 1oxn n TYR 128 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oxn n GLY 129 N -0.64 1.42 3.43 2.98 0.00 -1.26 -4.56 105.19 106.56 1oxn n GLY 129 Ca -0.17 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1oxn n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oxn s GLY 130 N 0.93 1.63 0.02 -0.02 0.00 -1.26 -1.07 107.32 107.56 1oxn s GLY 130 Ca 0.72 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1oxn s GLY 130 CO 0.38 -0.08 -0.04 1.08 0.00 0.00 0.00 173.10 174.43 1oxn s LEU 131 N 0.44 2.20 0.00 0.66 1.43 -0.33 -4.98 118.68 118.09 1oxn s LEU 131 Ca -0.06 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1oxn s LEU 131 Cb -0.15 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1oxn s LEU 131 CO 0.04 -0.21 0.05 0.00 0.23 0.00 0.00 176.35 176.46 1oxn n GLN 132 N 1.84 0.08 -3.65 1.70 10.64 -1.26 -0.38 117.38 126.34 1oxn n GLN 132 Ca -0.21 -0.26 -0.25 0.00 -1.83 0.00 0.00 57.00 54.45 1oxn n GLN 132 Cb 0.56 0.26 0.07 0.00 -0.86 0.00 0.00 30.24 30.27 1oxn n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1oxn n SER 133 N -1.86 -5.81 -4.73 2.61 7.64 -1.26 -4.94 113.62 105.27 1oxn n SER 133 Ca -0.00 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.87 1oxn n SER 133 Cb 0.06 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 58.42 1oxn n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1oxn s TRP 134 N -3.32 3.07 0.12 1.43 0.52 -1.26 -5.02 118.94 114.47 1oxn s TRP 134 Ca 0.57 0.86 0.07 0.00 0.02 0.00 0.00 56.10 57.61 1oxn s TRP 134 Cb -0.26 -3.84 -0.04 0.00 -1.15 0.00 0.00 33.47 28.18 1oxn s TRP 134 CO 0.75 -2.93 -0.17 0.15 0.02 0.00 0.00 176.95 174.77 1oxn s LYS 135 N 0.44 1.07 0.11 4.98 1.02 -1.26 -4.32 119.74 121.78 1oxn s LYS 135 Ca 0.64 -1.21 -0.35 0.00 0.02 0.00 0.00 55.97 55.08 1oxn s LYS 135 Cb -0.42 -1.12 -0.17 0.00 -0.52 0.00 0.00 37.83 35.60 1oxn s LYS 135 CO 0.37 0.24 1.09 -2.13 -0.92 0.00 0.00 175.35 173.99 1oxn n ARG 136 N 0.76 0.68 0.00 1.68 0.63 -1.26 -1.27 116.66 117.88 1oxn n ARG 136 Ca -0.17 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1oxn n ARG 136 Cb 0.56 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1oxn n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oxn n GLY 137 N 1.96 2.40 3.69 5.14 0.00 -1.26 -5.01 105.19 112.11 1oxn n GLY 137 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1oxn n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oxn s ASP 138 N -2.52 6.48 -0.37 1.61 1.01 -0.40 -4.96 116.67 117.52 1oxn s ASP 138 Ca 0.00 2.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.80 1oxn s ASP 138 Cb 0.00 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1oxn s ASP 138 CO 0.00 -0.96 0.31 -0.62 0.21 0.00 0.00 175.17 174.11 1oxn s ASP 139 N 2.39 6.12 0.25 0.27 2.15 -1.26 -4.95 116.67 121.64 1oxn s ASP 139 Ca 0.78 -0.56 -0.05 0.00 0.43 0.00 0.00 52.55 53.14 1oxn s ASP 139 Cb -0.44 -2.17 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 1oxn s ASP 139 CO 0.34 -0.36 1.67 -0.65 -0.17 0.00 0.00 175.17 176.00 1oxn h PRO 140 N 8.56 0.21 -0.62 4.34 0.11 -1.93 -0.22 132.00 142.44 1oxn h PRO 140 Ca -0.29 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1oxn h PRO 140 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1oxn h PRO 140 CO 0.69 0.14 0.23 -1.49 -0.21 0.00 0.00 178.00 177.37 1oxn h TRP 141 N 0.21 0.96 -0.36 0.65 -0.00 -1.90 0.44 115.95 115.96 1oxn h TRP 141 Ca 0.42 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 59.22 1oxn h TRP 141 Cb 0.73 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.59 1oxn h TRP 141 CO -0.30 0.77 0.20 1.15 -0.00 0.00 0.00 178.44 180.26 1oxn h THR 142 N 0.87 1.14 -0.83 1.49 2.02 -1.55 -0.92 112.91 115.13 1oxn h THR 142 Ca 0.21 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1oxn h THR 142 Cb 0.23 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1oxn h THR 142 CO -0.01 0.14 0.45 -0.33 0.37 0.00 0.00 175.52 176.14 1oxn h GLU 143 N 0.46 1.16 -0.17 6.66 4.39 -0.91 0.17 114.58 126.34 1oxn h GLU 143 Ca 0.13 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1oxn h GLU 143 Cb 0.04 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 1oxn h GLU 143 CO -0.02 0.85 -0.06 1.25 -1.16 0.00 0.00 179.01 179.87 1oxn h HIS 144 N 1.15 -0.13 -0.16 4.33 2.76 -0.51 -0.47 115.15 122.12 1oxn h HIS 144 Ca 0.29 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.36 1oxn h HIS 144 Cb 0.03 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1oxn h HIS 144 CO 0.01 -0.09 -0.42 0.00 -1.30 0.00 0.00 177.93 176.12 1oxn h ALA 145 N 1.14 0.98 -0.22 5.26 0.00 -0.65 0.16 119.26 125.93 1oxn h ALA 145 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1oxn h ALA 145 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1oxn h ALA 145 CO -0.19 0.62 -0.02 -0.22 0.00 0.00 0.00 179.25 179.45 1oxn h LYS 146 N 0.31 0.40 0.03 0.00 3.64 -0.29 -3.27 116.57 117.39 1oxn h LYS 146 Ca 0.03 -0.14 -0.33 0.00 -1.27 0.00 0.00 60.65 58.94 1oxn h LYS 146 Cb 0.88 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1oxn h LYS 146 CO 0.07 0.61 -1.95 0.91 -2.27 0.00 0.00 179.45 176.82 1oxn n TRP 147 N -4.64 0.81 -3.10 1.91 7.02 -0.22 -4.66 117.44 114.56 1oxn n TRP 147 Ca -0.04 0.25 -0.23 0.00 -1.02 0.00 0.00 57.50 56.45 1oxn n TRP 147 Cb 0.25 -1.13 -0.04 0.00 -2.42 0.00 0.00 31.31 27.97 1oxn n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1oxn n PHE 148 N -3.11 2.19 0.29 -5.99 3.72 0.56 -4.95 117.46 110.18 1oxn n PHE 148 Ca -0.25 -3.91 0.17 0.00 -0.05 0.00 0.00 57.45 53.40 1oxn n PHE 148 Cb 1.07 -0.46 0.88 0.00 -0.94 0.00 0.00 39.48 40.03 1oxn n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxn h PRO 149 N 3.19 0.00 -0.05 -1.08 0.13 -1.70 -1.95 132.00 130.53 1oxn h PRO 149 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1oxn h PRO 149 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1oxn h PRO 149 CO 0.67 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 1oxn n SER 150 N -3.36 1.84 -4.67 1.44 3.41 -1.26 -4.81 113.62 106.20 1oxn n SER 150 Ca -0.02 -1.63 -0.44 0.00 -0.26 0.00 0.00 58.87 56.52 1oxn n SER 150 Cb 0.19 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1oxn n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oxn h GLN 152 N 9.52 0.14 -0.32 0.00 4.20 -1.91 0.52 115.11 127.27 1oxn h GLN 152 Ca -0.48 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.07 1oxn h GLN 152 Cb 1.25 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 1oxn h GLN 152 CO 0.94 0.50 -0.19 0.35 -0.67 0.00 0.00 178.83 179.76 1oxn h PHE 153 N 0.12 0.80 -0.04 2.96 3.57 -1.96 0.25 116.94 122.64 1oxn h PHE 153 Ca 0.01 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.31 1oxn h PHE 153 Cb 0.71 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1oxn h PHE 153 CO 0.01 0.92 -0.01 1.25 -2.23 0.00 0.00 178.31 178.25 1oxn h LEU 154 N 0.46 -0.03 -0.74 0.59 5.85 -1.83 -0.43 115.31 119.17 1oxn h LEU 154 Ca 0.07 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1oxn h LEU 154 Cb 0.73 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1oxn h LEU 154 CO 0.05 -0.01 0.23 -0.07 -0.34 0.00 0.00 178.44 178.30 1oxn h LEU 155 N 0.01 1.08 -0.81 2.25 3.38 -0.68 0.25 115.31 120.79 1oxn h LEU 155 Ca 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1oxn h LEU 155 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1oxn h LEU 155 CO -0.04 1.01 0.16 -0.09 0.09 0.00 0.00 178.44 179.58 1oxn h ARG 156 N 1.10 1.06 0.22 1.13 2.43 -0.41 0.59 114.38 120.50 1oxn h ARG 156 Ca 0.24 -0.24 -0.30 0.00 -0.81 0.00 0.00 59.98 58.86 1oxn h ARG 156 Cb 0.31 -0.15 0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1oxn h ARG 156 CO -0.01 0.94 -1.36 0.77 -1.51 0.00 0.00 179.97 178.80 1oxn h SER 157 N 1.01 0.71 0.00 -3.80 0.02 -0.36 -3.39 113.55 107.74 1oxn h SER 157 Ca 0.21 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1oxn h SER 157 Cb 0.35 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1oxn h SER 157 CO 0.00 1.65 -1.41 0.29 -1.14 0.00 0.00 176.83 176.22 1oxn n LYS 158 N -3.81 0.67 0.00 3.45 4.76 0.81 -5.09 118.16 118.96 1oxn n LYS 158 Ca -0.18 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1oxn n LYS 158 Cb 1.03 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 1oxn n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oxn n GLY 159 N 1.79 -0.43 0.38 0.72 0.00 0.20 -4.22 105.19 103.63 1oxn n GLY 159 Ca -0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 1oxn n GLY 159 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oxn h ARG 160 N 0.00 1.30 -0.29 1.61 3.08 -1.93 -3.01 114.38 115.14 1oxn h ARG 160 Ca 0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1oxn h ARG 160 Cb 0.00 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 1oxn h ARG 160 CO 0.00 0.86 0.15 -0.44 -1.07 0.00 0.00 179.97 179.47 1oxn h ASP 161 N 1.34 0.24 -0.31 7.04 3.32 -1.96 0.21 116.42 126.29 1oxn h ASP 161 Ca 0.36 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.47 1oxn h ASP 161 Cb -0.15 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1oxn h ASP 161 CO -0.08 0.18 0.05 0.15 -1.72 0.00 0.00 179.24 177.82 1oxn h PHE 162 N 0.32 0.09 -0.17 4.55 3.57 -1.71 0.32 116.94 123.91 1oxn h PHE 162 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1oxn h PHE 162 Cb 0.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1oxn h PHE 162 CO -0.09 0.01 -0.01 0.28 -2.23 0.00 0.00 178.31 176.28 1oxn h VAL 163 N 0.16 1.26 -0.63 1.41 2.07 -1.32 0.58 116.25 119.80 1oxn h VAL 163 Ca 0.15 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1oxn h VAL 163 Cb 0.17 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1oxn h VAL 163 CO -0.20 0.27 0.35 -0.74 0.02 0.00 0.00 177.57 177.27 1oxn h HIS 164 N 0.05 0.64 -0.45 1.57 -0.00 -0.36 0.30 115.15 116.90 1oxn h HIS 164 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1oxn h HIS 164 Cb 0.41 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1oxn h HIS 164 CO 0.04 0.32 0.21 0.77 -0.00 0.00 0.00 177.93 179.27 1oxn h SER 165 N 0.66 0.60 -0.67 3.26 0.02 -0.01 -1.38 113.55 116.03 1oxn h SER 165 Ca 0.27 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1oxn h SER 165 Cb 0.14 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1oxn h SER 165 CO -0.16 0.57 0.29 0.58 -1.14 0.00 0.00 176.83 176.97 1oxn h VAL 166 N 0.58 1.24 -0.61 2.27 2.07 -0.57 -1.85 116.25 119.38 1oxn h VAL 166 Ca 0.15 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1oxn h VAL 166 Cb 0.14 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1oxn h VAL 166 CO -0.02 0.29 0.38 1.56 0.02 0.00 0.00 177.57 179.80 1oxn h GLN 167 N 0.94 0.74 -0.21 1.57 1.08 -0.58 0.45 115.11 119.10 1oxn h GLN 167 Ca 0.23 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1oxn h GLN 167 Cb 0.17 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1oxn h GLN 167 CO -0.02 0.49 -0.24 0.93 -0.95 0.00 0.00 178.83 179.04 1oxn h GLU 168 N 0.76 0.38 0.00 1.46 5.08 -1.04 -3.23 114.58 117.99 1oxn h GLU 168 Ca 0.24 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1oxn h GLU 168 Cb -0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1oxn h GLU 168 CO -0.08 0.60 -1.17 0.25 -1.00 0.00 0.00 179.01 177.60 1oxn n THR 169 N -4.15 0.24 -2.84 1.13 -2.24 -0.72 -4.43 114.28 101.27 1oxn n THR 169 Ca -0.00 -0.35 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 1oxn n THR 169 Cb 0.38 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1oxn n THR 169 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oxn n HIS 170 N -2.16 3.56 0.00 4.78 8.25 0.12 -5.08 115.22 124.69 1oxn n HIS 170 Ca 0.01 -3.74 0.00 0.00 -0.26 0.00 0.00 57.72 53.73 1oxn n HIS 170 Cb 0.48 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1oxn n HIS 170 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41